| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.6 | Low | 69.1 | Low | 225 Ų | 225 | 131.7 Ų | 131.7 | 100% | 1.108 | 80% | 0.802 | S | S | * | * | 0 | 89.1 | 0 | -73.9 | 165.1 | 164 | 0 | 0 | 106.5 | |||||
| 2 | N | 67.7 | Low | 69.3 | Low | 158 Ų | 158 | 134.1 Ų | 134.1 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -127.3 | 81.6 | -170.7 | -57.3 | 27.7 | 0 | 0 | 0 | 106.7 | N4 | N2-N4 PolarHBondContact O-N 3.12Å; N2-N4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | N | 72.7 | Confident | 69.4 | Low | 149 Ų | 149 | 131.8 Ų | 131.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 90.4 | 180 | -61.4 | -24.1 | 0 | 0 | 0 | 107.7 | A5 | N3-A5 PolarHBondContact O-N 2.99Š| ||
| 4 | N | 66.9 | Low | 69.7 | Low | 170 Ų | 170 | 131.4 Ų | 131.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 78.4 | 166.8 | -168.4 | 7.3 | 0 | 0 | 0 | 107.7 | N2 | N2-N4 PolarHBondContact O-N 3.12Å; N2-N4 VanDerWaalsContact O-N 3.12Å | ||
| 5 | A | 56 | Low | 69.4 | Low | 63 Ų | 63 | 132.2 Ų | 132.2 | 52% | 0.521 | 81% | 0.805 | S | S | . | * | trans | -97.3 | 148.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N3 | N3-A5 PolarHBondContact O-N 2.99Š| ||
| 6 | T | 63 | Low | 68.1 | Low | 135 Ų | 135 | 129.6 Ų | 129.6 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | 73.8 | 72.1 | 159.6 | 75.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 7 | G | 70.1 | Confident | 67.1 | Low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -86 | 109.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | S | 74.8 | Confident | 66.3 | Low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 135.6 | 172.5 | -81.9 | 0 | 0 | 0 | 0 | 110.6 | V10 | S8-V10 PolarHBondContact O-N 2.87Š| ||
| 9 | P | 76.8 | Confident | 65.3 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -69.2 | 118.4 | 177.1 | 28 | -32.7 | 0 | 0 | 0 | 110 | T11 | P9-T11 PolarHBondContact O-N 3.48Š| ||
| 10 | V | 76 | Confident | 64.1 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 111.4 | 170 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | S8 L12 | S8-V10 PolarHBondContact O-N 2.87Å; V10-L12 HydrophobicContact CG1-CD2 4.4Å; V10-L12 PolarHBondContact O-N 3.31Å | ||
| 11 | T | 74.7 | Confident | 63.1 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -77 | 107.2 | 175.8 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | P9 S13 | P9-T11 PolarHBondContact O-N 3.48Å; T11-S13 PolarHBondContact O-N 3.37Å | ||
| 12 | L | 72 | Confident | 62 | Low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -78.5 | 107 | 174.4 | -65 | 174.3 | 0 | 0 | 0 | 109.5 | V10 | V10-L12 HydrophobicContact CG1-CD2 4.4Å; V10-L12 PolarHBondContact O-N 3.31Å | ||
| 13 | S | 69.7 | Low | 61.1 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 135.9 | 169.6 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | T11 V15 | T11-S13 PolarHBondContact O-N 3.37Å; S13-V15 PolarHBondContact O-N 3.37Å |
| 14 | P | 74.6 | Confident | 59.5 | Low | 126 Ų | 126 | 120.6 Ų | 120.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.8 | -179.2 | 28.8 | -33 | 0 | 0 | 0 | 110.6 | A16 | P14-A16 PolarHBondContact O-N 2.72Š|
| 15 | V | 64.9 | Low | 58.2 | Low | 144 Ų | 144 | 117.2 Ų | 117.2 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 121.4 | 168.3 | -71.5 | 0 | 0 | 0 | 0 | 109 | S13 A17 | S13-V15 PolarHBondContact O-N 3.37Å; V15-A17 PolarHBondContact O-N 2.65Å |
| 16 | A | 48.2 | Very low | 57.9 | Low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P14 V18 | P14-A16 PolarHBondContact O-N 2.72Å; A16-V18 PolarHBondContact O-N 3.27Å; A16-V18 VanDerWaalsContact O-N 3.09Å |
| 17 | A | 50.7 | Low | 57.2 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 108.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V15 S19 | V15-A17 PolarHBondContact O-N 2.65Å; A17-S19 PolarHBondContact O-N 3.07Å | ||
| 18 | V | 53.9 | Low | 56.5 | Low | 142 Ų | 142 | 124.7 Ų | 124.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -77.7 | 117.8 | 169.1 | -45.6 | 0 | 0 | 0 | 0 | 107.8 | A16 | A16-V18 PolarHBondContact O-N 3.27Å; A16-V18 VanDerWaalsContact O-N 3.09Å | ||
| 19 | S | 45.8 | Very low | 56 | Low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -63.4 | 135.4 | -178.2 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | A17 K21 | A17-S19 PolarHBondContact O-N 3.07Å; S19-K21 PolarHBondContact O-N 3.41Å | ||
| 20 | D | 41.4 | Very low | 55.7 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -40.1 | 115.9 | 171.5 | -71.4 | -65 | 0 | 0 | 0 | 111.9 | K60 | D20-K60 VanDerWaalsContact CG-NZ 3.28Å; D20-K60 IonicContact OD1-NZ 3.12Å; D20-K60 PolarHBondContact OD1-NZ 3.07Å; D20-K60 IonicContact OD2-NZ 3.92Å; D20-K60 PolarHBondContact OD2-NZ 3.25Å; D20-K60 VanDerWaalsContact OD2-NZ 3.12Å | ||
| 21 | K | 43.9 | Very low | 55.7 | Low | 200 Ų | 200 | 127 Ų | 127 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | -114.2 | 90.4 | 163.7 | -154.8 | 83.1 | -179.5 | -162.6 | 0 | 109.3 | S19 | S19-K21 PolarHBondContact O-N 3.41Š| ||
| 22 | S | 38.6 | Very low | 56 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -58.8 | 120.5 | 154.4 | 51.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | A | 47.8 | Very low | 57 | Low | 76 Ų | 76 | 131.4 Ų | 131.4 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | 176.2 | 119.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T25 | A23-T25 PolarHBondContact O-N 3.11Š| ||
| 24 | S | 39.9 | Very low | 58.1 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -18 | 99.6 | 157.8 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 25 | T | 39 | Very low | 59 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | trans | -126.8 | 128.4 | 146.4 | 47.3 | 0 | 0 | 0 | 0 | 104.6 | A23 T27 | A23-T25 PolarHBondContact O-N 3.11Å; T25-T27 PolarHBondContact O-N 3.46Å; T25-T27 PolarHBondContact O-OG1 2.98Å; T25-T27 VanDerWaalsContact OG1-CG2 3.31Å; T25-T27 WeakPolarHBondContact OG1-CG2 3.29Å | ||
| 26 | V | 49.4 | Very low | 60.4 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 90% | 0.903 | 71% | 0.714 | S | S | * | * | trans | -65.6 | 67.4 | 156 | -177.5 | 0 | 0 | 0 | 0 | 104.7 | E28 | V26-E28 PolarHBondContact O-N 3.36Š| ||
| 27 | T | 48.8 | Very low | 62.7 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | trans | -68.2 | 114.8 | 163.5 | 30.4 | 0 | 0 | 0 | 0 | 102.2 | T25 E29 | T25-T27 PolarHBondContact O-N 3.46Å; T25-T27 PolarHBondContact O-OG1 2.98Å; T25-T27 VanDerWaalsContact OG1-CG2 3.31Å; T25-T27 WeakPolarHBondContact OG1-CG2 3.29Å; T27-E29 PolarHBondContact O-N 3.24Å | ||
| 28 | E | 56.2 | Low | 64.9 | Low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -50.3 | 84.3 | 159.1 | -61.8 | 171.9 | 172.6 | 0 | 0 | 105.5 | V26 E30 | V26-E28 PolarHBondContact O-N 3.36Å; E28-E30 PolarHBondContact O-N 3.05Å | ||
| 29 | E | 62.7 | Low | 66.8 | Low | 136 Ų | 136 | 127.7 Ų | 127.7 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | trans | -65.6 | 98 | -178.3 | -164.4 | -166.4 | 170.5 | 0 | 0 | 103.7 | T27 P31 R46 | T27-E29 PolarHBondContact O-N 3.24Å; E29-P31 VanDerWaalsContact O-N 3.09Å; E29-R46 IonicContact OE1-CZ 2.82Å; E29-R46 IonicContact OE1-NH1 3.32Å; E29-R46 PolarHBondContact OE1-NH1 2.94Å; E29-R46 IonicContact OE2-NH1 2.86Å; E29-R46 PolarHBondContact OE2-NH1 3.29Å | ||
| 30 | E | 71.6 | Confident | 69.1 | Low | 175 Ų | 175 | 129.7 Ų | 129.7 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -46.3 | 119.1 | -174.7 | -170 | 177.3 | 176.1 | 0 | 0 | 107.8 | E28 F32 | E28-E30 PolarHBondContact O-N 3.05Å; E30-F32 PolarHBondContact O-N 3.16Å | ||
| 31 | P | 76.6 | Confident | 71.8 | Confident | 88 Ų | 88 | 130.9 Ų | 130.9 | 57% | 0.571 | 67% | 0.673 | S | S | * | * | trans | -63.6 | 106.2 | -172 | 22.5 | -31.4 | 0 | 0 | 0 | 108.4 | E29 Y33 Y39 | E29-P31 VanDerWaalsContact O-N 3.09Å; P31-Y33 PolarHBondContact O-N 3.24Å; P31-Y39 HydrophobicContact CB-CE2 4.01Å | ||
| 32 | F | 80.6 | Confident | 74.2 | Confident | 160 Ų | 160 | 123.5 Ų | 123.5 | 70% | 0.702 | 64% | 0.643 | S | S | * | * | trans | -54.3 | 137.1 | 173 | -175.4 | -102.7 | 0 | 0 | 0 | 108.6 | E30 V34 | E30-F32 PolarHBondContact O-N 3.16Å; F32-V34 VanDerWaalsContact C-N 3.32Å; F32-V34 HydrophobicContact CD1-CG1 3.96Å; F32-V34 WeakPolarHBondContact O-CG1 3.42Å; F32-V34 PolarHBondContact O-N 3.21Å | ||
| 33 | Y | 91.7 | Very high | 76.8 | Confident | 213 Ų | 213 | 122.3 Ų | 122.3 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -60.3 | 98.9 | 175.7 | -179.9 | -101.9 | 0 | 0 | 0 | 108.9 | P31 | P31-Y33 PolarHBondContact O-N 3.24Š| ||
| 34 | V | 92.8 | Very high | 79.1 | Confident | 37 Ų | 37 | 123.6 Ų | 123.6 | 22% | 0.224 | 62% | 0.62 | C | S | . | * | trans | -106.1 | 166 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 108.7 | F32 A36 Y39 I42 | F32-V34 VanDerWaalsContact C-N 3.32Å; F32-V34 HydrophobicContact CD1-CG1 3.96Å; F32-V34 WeakPolarHBondContact O-CG1 3.42Å; F32-V34 PolarHBondContact O-N 3.21Å; V34-A36 PolarHBondContact O-N 3.14Å; V34-A36 VanDerWaalsContact O-N 3.17Å; V34-Y39 HydrophobicContact CG2-CD2 3.8Å; V34-Y39 HydrophobicContact CG2-CG 4.49Å; V34-I42 HydrophobicContact CB-CD1 3.95Å; V34-I42 HydrophobicContact CG1-CD1 3.93Å; V34-I42 HydrophobicContact CG2-CD1 4.18Å | ||
| 35 | N | 95.1 | Very high | 81.8 | Confident | 82 Ų | 82 | 125 Ų | 125 | 44% | 0.439 | 61% | 0.606 | S | S | . | * | trans | -54.6 | 125.7 | 172.1 | -173.5 | -38.6 | 0 | 0 | 0 | 110.3 | K37 Q38 Y39 | N35-K37 PolarHBondContact O-N 3.13Å; N35-K37 WeakPolarHBondContact OD1-CB 3.48Å; N35-K37 PolarHBondContact OD1-N 3.07Å; N35-Q38 HydrophobicContact CB-CB 4.35Å; N35-Q38 HydrophobicContact CB-CG 4.06Å; N35-Q38 PolarHBondContact O-N 3.29Å; N35-Y39 PolarHBondContact O-N 3.03Å | ||
| 36 | A | 93.1 | Very high | 84.4 | Confident | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | -34.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V34 Q38 | V34-A36 PolarHBondContact O-N 3.14Å; V34-A36 VanDerWaalsContact O-N 3.17Å; A36-Q38 VanDerWaalsContact C-N 3.28Å; A36-Q38 PolarHBondContact O-N 3.09Å |
| 37 | K | 96.9 | Very high | 86.5 | Confident | 196 Ų | 196 | 123.7 Ų | 123.7 | 85% | 0.852 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -19.6 | 179.3 | -62.4 | -175.1 | 176.2 | -178.4 | 0 | 113.9 | N35 | N35-K37 PolarHBondContact O-N 3.13Å; N35-K37 WeakPolarHBondContact OD1-CB 3.48Å; N35-K37 PolarHBondContact OD1-N 3.07Å |
| 38 | Q | 95.9 | Very high | 88.7 | Confident | 102 Ų | 102 | 123 Ų | 123 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.6 | -20.3 | -169.6 | -61.1 | -176.6 | 5.9 | 0 | 0 | 113.6 | N35 A36 K40 R41 I42 | N35-Q38 HydrophobicContact CB-CB 4.35Å; N35-Q38 HydrophobicContact CB-CG 4.06Å; N35-Q38 PolarHBondContact O-N 3.29Å; A36-Q38 VanDerWaalsContact C-N 3.28Å; A36-Q38 PolarHBondContact O-N 3.09Å; Q38-K40 PolarHBondContact O-N 3.43Å; Q38-R41 PolarHBondContact O-N 2.93Å; Q38-I42 HydrophobicContact CB-CD1 3.73Å; Q38-I42 HydrophobicContact CB-CG1 4.11Å; Q38-I42 PolarHBondContact O-N 3.46Å |
| 39 | Y | 94.6 | Very high | 90.5 | Very high | 115 Ų | 115 | 120.1 Ų | 120.1 | 45% | 0.451 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -42.3 | -57.8 | -170.4 | -179.2 | -107.3 | 0 | 0 | 0 | 114 | P31 V34 N35 R41 I42 M43 | P31-Y39 HydrophobicContact CB-CE2 4.01Å; V34-Y39 HydrophobicContact CG2-CD2 3.8Å; V34-Y39 HydrophobicContact CG2-CG 4.49Å; N35-Y39 PolarHBondContact O-N 3.03Å; Y39-R41 PolarHBondContact O-N 2.89Å; Y39-I42 PolarHBondContact O-N 3.19Å; Y39-M43 PolarHBondContact O-N 3.29Å |
| 40 | K | 94.3 | Very high | 91.9 | Very high | 156 Ų | 156 | 115.2 Ų | 115.2 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -42.1 | -179.2 | -173.7 | 176.7 | -178.7 | 177.1 | 0 | 113 | Q38 M43 Q44 | Q38-K40 PolarHBondContact O-N 3.43Å; K40-M43 PolarHBondContact O-N 3.3Å; K40-Q44 WeakPolarHBondContact O-CG 3.43Å; K40-Q44 PolarHBondContact O-N 2.94Å; K40-Q44 VanDerWaalsContact O-N 3.09Å |
| 41 | R | 97.2 | Very high | 92.9 | Very high | 156 Ų | 156 | 113.6 Ų | 113.6 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.8 | -35.4 | 179.9 | -70.3 | -160.2 | 70.5 | 148.6 | 1.2 | 112.1 | Q38 Y39 M43 Q44 R45 | Q38-R41 PolarHBondContact O-N 2.93Å; Y39-R41 PolarHBondContact O-N 2.89Å; R41-M43 VanDerWaalsContact C-N 3.32Å; R41-Q44 PolarHBondContact O-N 3.16Å; R41-R45 WeakPolarHBondContact O-CB 3.4Å; R41-R45 VanDerWaalsContact O-CG 3.28Å; R41-R45 WeakPolarHBondContact O-CG 3.49Å; R41-R45 PolarHBondContact O-N 2.89Å |
| 42 | I | 95.3 | Very high | 93.5 | Very high | 46 Ų | 46 | 111.9 Ų | 111.9 | 24% | 0.236 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.8 | -47.9 | 174.1 | -70.3 | 170.9 | 0 | 0 | 0 | 109 | V34 Q38 Y39 Q44 R45 R46 | V34-I42 HydrophobicContact CB-CD1 3.95Å; V34-I42 HydrophobicContact CG1-CD1 3.93Å; V34-I42 HydrophobicContact CG2-CD1 4.18Å; Q38-I42 HydrophobicContact CB-CD1 3.73Å; Q38-I42 HydrophobicContact CB-CG1 4.11Å; Q38-I42 PolarHBondContact O-N 3.46Å; Y39-I42 PolarHBondContact O-N 3.19Å; I42-Q44 PolarHBondContact O-N 3.45Å; I42-R45 PolarHBondContact O-N 2.9Å; I42-R46 HydrophobicContact CG2-CG 4.34Å; I42-R46 WeakPolarHBondContact O-CG 3.15Å; I42-R46 PolarHBondContact O-N 3.34Å |
| 43 | M | 93 | Very high | 93.9 | Very high | 83 Ų | 83 | 109.5 Ų | 109.5 | 41% | 0.409 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57 | -49.5 | 178.3 | -166.6 | 60.9 | 71.6 | 0 | 0 | 111.5 | Y39 K40 R41 R45 R46 L47 | Y39-M43 PolarHBondContact O-N 3.29Å; K40-M43 PolarHBondContact O-N 3.3Å; R41-M43 VanDerWaalsContact C-N 3.32Å; M43-R45 PolarHBondContact O-N 2.88Å; M43-R46 WeakPolarHBondContact O-CB 3.5Å; M43-R46 PolarHBondContact O-N 3.31Å; M43-L47 WeakPolarHBondContact O-CG 3.17Å; M43-L47 PolarHBondContact O-N 3.3Å; M43-L47 VanDerWaalsContact O-N 3.11Å |
| 44 | Q | 95.9 | Very high | 93.6 | Very high | 103 Ų | 103 | 104.2 Ų | 104.2 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.2 | -71.1 | 176.8 | -27.5 | 0 | 0 | 112.8 | K40 R41 I42 R46 L47 V48 | K40-Q44 WeakPolarHBondContact O-CG 3.43Å; K40-Q44 PolarHBondContact O-N 2.94Å; K40-Q44 VanDerWaalsContact O-N 3.09Å; R41-Q44 PolarHBondContact O-N 3.16Å; I42-Q44 PolarHBondContact O-N 3.45Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.7Å; Q44-L47 PolarHBondContact O-N 3.19Å; Q44-V48 WeakPolarHBondContact O-CG2 3.25Å; Q44-V48 PolarHBondContact O-N 2.77Å |
| 45 | R | 96.7 | Very high | 93.5 | Very high | 150 Ų | 150 | 107.4 Ų | 107.4 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -34.1 | 178.1 | -73.3 | 178.5 | -172.8 | -129.8 | 4.6 | 112.2 | R41 I42 M43 V48 R49 | R41-R45 WeakPolarHBondContact O-CB 3.4Å; R41-R45 VanDerWaalsContact O-CG 3.28Å; R41-R45 WeakPolarHBondContact O-CG 3.49Å; R41-R45 PolarHBondContact O-N 2.89Å; I42-R45 PolarHBondContact O-N 2.9Å; M43-R45 PolarHBondContact O-N 2.88Å; R45-V48 PolarHBondContact O-N 2.75Å; R45-R49 WeakPolarHBondContact O-CB 3.5Å; R45-R49 PolarHBondContact O-N 3.36Å |
| 46 | R | 93.7 | Very high | 92.9 | Very high | 108 Ų | 108 | 106.1 Ų | 106.1 | 41% | 0.408 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 173.9 | -75.1 | 174.4 | 178 | -111.5 | 2.7 | 110.7 | E29 I42 M43 Q44 V48 R49 G50 | E29-R46 IonicContact OE1-CZ 2.82Å; E29-R46 IonicContact OE1-NH1 3.32Å; E29-R46 PolarHBondContact OE1-NH1 2.94Å; E29-R46 IonicContact OE2-NH1 2.86Å; E29-R46 PolarHBondContact OE2-NH1 3.29Å; I42-R46 HydrophobicContact CG2-CG 4.34Å; I42-R46 WeakPolarHBondContact O-CG 3.15Å; I42-R46 PolarHBondContact O-N 3.34Å; M43-R46 WeakPolarHBondContact O-CB 3.5Å; M43-R46 PolarHBondContact O-N 3.31Å; Q44-R46 VanDerWaalsContact C-N 3.31Å; Q44-R46 PolarHBondContact O-N 2.7Å; R46-V48 PolarHBondContact O-N 2.9Å; R46-R49 PolarHBondContact O-N 3.39Å; R46-G50 PolarHBondContact O-N 2.94Å |
| 47 | L | 93.5 | Very high | 92.5 | Very high | 113 Ų | 113 | 109.8 Ų | 109.8 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 175.5 | -63.3 | 174.9 | 0 | 0 | 0 | 112.1 | M43 Q44 G50 K51 | M43-L47 WeakPolarHBondContact O-CG 3.17Å; M43-L47 PolarHBondContact O-N 3.3Å; M43-L47 VanDerWaalsContact O-N 3.11Å; Q44-L47 PolarHBondContact O-N 3.19Å; L47-G50 PolarHBondContact O-N 3.47Å; L47-K51 WeakPolarHBondContact O-CG 3.06Å; L47-K51 PolarHBondContact O-N 2.94Å; L47-K51 VanDerWaalsContact O-N 3.1Å |
| 48 | V | 94.8 | Very high | 91.7 | Very high | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | Q44 R45 R46 K51 L52 | Q44-V48 WeakPolarHBondContact O-CG2 3.25Å; Q44-V48 PolarHBondContact O-N 2.77Å; R45-V48 PolarHBondContact O-N 2.75Å; R46-V48 PolarHBondContact O-N 2.9Å; V48-K51 PolarHBondContact O-N 3.09Å; V48-L52 HydrophobicContact CG1-CD1 4.19Å; V48-L52 WeakPolarHBondContact O-CG 3.15Å; V48-L52 PolarHBondContact O-N 3.38Å; V48-L52 VanDerWaalsContact O-N 3.07Å |
| 49 | R | 94.1 | Very high | 91.1 | Very high | 124 Ų | 124 | 104.2 Ų | 104.2 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 178 | -164.6 | -173.5 | -64.5 | 114.5 | 0.1 | 111.4 | R45 R46 K51 L52 E53 I58 | R45-R49 WeakPolarHBondContact O-CB 3.5Å; R45-R49 PolarHBondContact O-N 3.36Å; R46-R49 PolarHBondContact O-N 3.39Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 3.23Å; R49-L52 CarbonylContact O-C 3.6Å; R49-L52 PolarHBondContact O-N 3.05Å; R49-L52 VanDerWaalsContact O-N 3.07Å; R49-E53 WeakPolarHBondContact CD-OE1 3.42Å; R49-E53 HydrophobicContact CG-CG 4.27Å; R49-E53 VanDerWaalsContact CG-OE1 3.23Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.23Å; R49-E53 WeakPolarHBondContact O-CG 3.28Å; R49-E53 PolarHBondContact O-N 3.38Å; R49-I58 HydrophobicContact CG-CD1 3.73Å |
| 50 | G | 92.7 | Very high | 90.6 | Very high | 33 Ų | 33 | 106.8 Ų | 106.8 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | R46 L47 E53 S54 | R46-G50 PolarHBondContact O-N 2.94Å; L47-G50 PolarHBondContact O-N 3.47Å; G50-E53 PolarHBondContact O-N 2.85Å; G50-S54 PolarHBondContact O-N 3.24Å |
| 51 | K | 91.4 | Very high | 90.3 | Very high | 141 Ų | 141 | 108 Ų | 108 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 171.7 | -69.7 | -179.6 | -179 | -170.5 | 0 | 111.8 | L47 V48 R49 E53 S54 E55 | L47-K51 WeakPolarHBondContact O-CG 3.06Å; L47-K51 PolarHBondContact O-N 2.94Å; L47-K51 VanDerWaalsContact O-N 3.1Å; V48-K51 PolarHBondContact O-N 3.09Å; R49-K51 VanDerWaalsContact C-N 3.29Å; R49-K51 PolarHBondContact O-N 3.23Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 3.35Å; K51-S54 PolarHBondContact O-N 2.95Å; K51-S54 PolarHBondContact O-OG 3.17Å; K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 2.76Å |
| 52 | L | 89.7 | Confident | 90 | Very high | 52 Ų | 52 | 112.4 Ų | 112.4 | 27% | 0.272 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 179.5 | -68 | 173.4 | 0 | 0 | 0 | 113.4 | V48 R49 G56 R57 I58 | V48-L52 HydrophobicContact CG1-CD1 4.19Å; V48-L52 WeakPolarHBondContact O-CG 3.15Å; V48-L52 PolarHBondContact O-N 3.38Å; V48-L52 VanDerWaalsContact O-N 3.07Å; R49-L52 CarbonylContact O-C 3.6Å; R49-L52 PolarHBondContact O-N 3.05Å; R49-L52 VanDerWaalsContact O-N 3.07Å; L52-G56 PolarHBondContact O-N 3.37Å; L52-R57 HydrophobicContact CD2-CB 4.44Å; L52-R57 PolarHBondContact O-N 3.12Å; L52-I58 HydrophobicContact CB-CD1 4.29Å; L52-I58 HydrophobicContact CB-CG1 4.39Å |
| 53 | E | 88.6 | Confident | 89.8 | Confident | 110 Ų | 110 | 118 Ų | 118 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.5 | -41.3 | 174.2 | -72.2 | 169.6 | -171.9 | 0 | 0 | 111 | R49 G50 K51 E55 G56 I58 | R49-E53 WeakPolarHBondContact CD-OE1 3.42Å; R49-E53 HydrophobicContact CG-CG 4.27Å; R49-E53 VanDerWaalsContact CG-OE1 3.23Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.23Å; R49-E53 WeakPolarHBondContact O-CG 3.28Å; R49-E53 PolarHBondContact O-N 3.38Å; G50-E53 PolarHBondContact O-N 2.85Å; K51-E53 VanDerWaalsContact C-N 3.31Å; K51-E53 PolarHBondContact O-N 3.35Å; E53-E55 VanDerWaalsContact C-N 3.32Å; E53-E55 PolarHBondContact O-N 2.9Å; E53-G56 PolarHBondContact O-N 3.41Å; E53-I58 HydrophobicContact CG-CB 4.45Å; E53-I58 HydrophobicContact CG-CD1 3.98Å |
| 54 | S | 85.8 | Confident | 89.9 | Confident | 102 Ų | 102 | 123.3 Ų | 123.3 | 71% | 0.713 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.1 | -34.1 | 174.3 | 75.5 | 0 | 0 | 0 | 0 | 113 | G50 K51 G56 | G50-S54 PolarHBondContact O-N 3.24Å; K51-S54 PolarHBondContact O-N 2.95Å; K51-S54 PolarHBondContact O-OG 3.17Å; S54-G56 PolarHBondContact O-N 2.86Å |
| 55 | E | 90.6 | Very high | 89.9 | Confident | 105 Ų | 105 | 122 Ų | 122 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | -8.7 | 173.2 | -69.8 | 171 | -167.9 | 0 | 0 | 112.5 | K51 E53 R57 | K51-E55 WeakPolarHBondContact O-CG 3.45Å; K51-E55 PolarHBondContact O-N 2.76Å; E53-E55 VanDerWaalsContact C-N 3.32Å; E53-E55 PolarHBondContact O-N 2.9Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 HydrophobicContact CB-CG 4.24Å; E55-R57 PolarHBondContact O-N 3.37Å; E55-R57 WeakPolarHBondContact OE2-CD 3.39Å; E55-R57 IonicContact OE2-CZ 3.11Å; E55-R57 IonicContact OE2-NE 3.29Å; E55-R57 PolarHBondContact OE2-NE 3.18Å; E55-R57 IonicContact OE2-NH1 2.77Å; E55-R57 PolarHBondContact OE2-NH1 3Å; E55-R57 IonicContact OE2-NH2 3.93Å |
| 56 | G | 83.7 | Confident | 89.8 | Confident | 54 Ų | 54 | 120.6 Ų | 120.6 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.4 | 15.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L52 E53 S54 I58 | L52-G56 PolarHBondContact O-N 3.37Å; E53-G56 PolarHBondContact O-N 3.41Å; S54-G56 PolarHBondContact O-N 2.86Å; G56-I58 VanDerWaalsContact C-N 3.26Å; G56-I58 PolarHBondContact O-N 2.82Å |
| 57 | R | 83.4 | Confident | 90 | Very high | 172 Ų | 172 | 119.6 Ų | 119.6 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | trans | -71.8 | -19.3 | -179.6 | -73.3 | 179.9 | 170.6 | 162.9 | -6.7 | 113.6 | L52 E55 P59 | L52-R57 HydrophobicContact CD2-CB 4.44Å; L52-R57 PolarHBondContact O-N 3.12Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 HydrophobicContact CB-CG 4.24Å; E55-R57 PolarHBondContact O-N 3.37Å; E55-R57 WeakPolarHBondContact OE2-CD 3.39Å; E55-R57 IonicContact OE2-CZ 3.11Å; E55-R57 IonicContact OE2-NE 3.29Å; E55-R57 PolarHBondContact OE2-NE 3.18Å; E55-R57 IonicContact OE2-NH1 2.77Å; E55-R57 PolarHBondContact OE2-NH1 3Å; E55-R57 IonicContact OE2-NH2 3.93Å; R57-P59 WeakPolarHBondContact O-CD 3.33Å | ||
| 58 | I | 81.3 | Confident | 90.1 | Very high | 76 Ų | 76 | 118.5 Ų | 118.5 | 39% | 0.39 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -102.2 | 108.1 | 176.5 | -55.6 | -176.4 | 0 | 0 | 0 | 108.3 | R49 L52 E53 G56 K60 | R49-I58 HydrophobicContact CG-CD1 3.73Å; L52-I58 HydrophobicContact CB-CD1 4.29Å; L52-I58 HydrophobicContact CB-CG1 4.39Å; E53-I58 HydrophobicContact CG-CB 4.45Å; E53-I58 HydrophobicContact CG-CD1 3.98Å; G56-I58 VanDerWaalsContact C-N 3.26Å; G56-I58 PolarHBondContact O-N 2.82Å; I58-K60 PolarHBondContact O-N 3.32Å |
| 59 | P | 83.7 | Confident | 90.3 | Very high | 104 Ų | 104 | 118.6 Ų | 118.6 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | trans | -63.8 | 121.3 | 180 | -21.8 | 33.1 | 0 | 0 | 0 | 111.4 | R57 K61 | R57-P59 WeakPolarHBondContact O-CD 3.33Å; P59-K61 VanDerWaalsContact C-N 3.3Å; P59-K61 PolarHBondContact O-N 2.82Å | ||
| 60 | K | 82.9 | Confident | 90.4 | Very high | 169 Ų | 169 | 121.1 Ų | 121.1 | 74% | 0.735 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -61.1 | -36.6 | 177.1 | -68.6 | -171.3 | 172.6 | -161.4 | 0 | 113 | D20 I58 | D20-K60 VanDerWaalsContact CG-NZ 3.28Å; D20-K60 IonicContact OD1-NZ 3.12Å; D20-K60 PolarHBondContact OD1-NZ 3.07Å; D20-K60 IonicContact OD2-NZ 3.92Å; D20-K60 PolarHBondContact OD2-NZ 3.25Å; D20-K60 VanDerWaalsContact OD2-NZ 3.12Å; I58-K60 PolarHBondContact O-N 3.32Å |
| 61 | K | 87.9 | Confident | 90.7 | Very high | 183 Ų | 183 | 122.1 Ų | 122.1 | 80% | 0.796 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -121.9 | 133.8 | -179.2 | -66.6 | -177.4 | -179.3 | 178 | 0 | 110.1 | P59 | P59-K61 VanDerWaalsContact C-N 3.3Å; P59-K61 PolarHBondContact O-N 2.82Å |
| 62 | R | 91.2 | Very high | 91 | Very high | 247 Ų | 247 | 119.3 Ų | 119.3 | 93% | 0.932 | 57% | 0.566 | S | S | * | * | trans | -74.8 | 131.7 | 174.2 | -66.6 | 179.9 | 67.7 | 150.8 | 0.5 | 109.5 | ||||
| 63 | R | 91.9 | Very high | 91.3 | Very high | 163 Ų | 163 | 122.3 Ų | 122.3 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | trans | -72.1 | 149 | 172.5 | -59.8 | 175.9 | 66.8 | -172.7 | 0.8 | 109.8 | Y65 L66 | R63-Y65 WeakPolarHBondContact CB-O 3.41Å; R63-Y65 PolarHBondContact O-N 3Å; R63-L66 PolarHBondContact NH1-O 3.19Å | ||
| 64 | K | 94.9 | Very high | 91.6 | Very high | 196 Ų | 196 | 118.4 Ų | 118.4 | 85% | 0.852 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -57.4 | -35.6 | 173 | -176.8 | 178.3 | 179.4 | -177.8 | 0 | 111.7 | ||
| 65 | Y | 95.2 | Very high | 92 | Very high | 74 Ų | 74 | 118.5 Ų | 118.5 | 29% | 0.29 | 56% | 0.558 | S | S | . | * | trans | -141 | 148.7 | 172.6 | 58.4 | -92.5 | 0 | 0 | 0 | 109.5 | R63 H67 E68 H71 | R63-Y65 WeakPolarHBondContact CB-O 3.41Å; R63-Y65 PolarHBondContact O-N 3Å; Y65-H67 WeakPolarHBondContact CD2-O 3.35Å; Y65-E68 WeakPolarHBondContact CE2-OE2 3.35Å; Y65-E68 VanDerWaalsContact CZ-OE2 3.24Å; Y65-E68 PolarHBondContact OH-OE2 2.83Å; Y65-H71 HydrophobicContact CD1-CB 4.2Å; Y65-H71 AromaticContact CD1-CD2 3.86Å; Y65-H71 AromaticContact CD1-CG 3.86Å; Y65-H71 HydrophobicContact CD2-CB 3.93Å; Y65-H71 AromaticContact CE1-CD2 3.68Å; Y65-H71 HydrophobicContact CE2-CB 4.31Å; Y65-H71 HydrophobicContact CG-CB 3.86Å | ||
| 66 | L | 94.2 | Very high | 92.1 | Very high | 122 Ų | 122 | 119 Ų | 119 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -84.9 | -36.3 | -177.7 | -177.3 | 59.2 | 0 | 0 | 0 | 112.5 | R63 | R63-L66 PolarHBondContact NH1-O 3.19Š|
| 67 | H | 97.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 120.7 Ų | 120.7 | 40% | 0.403 | 55% | 0.553 | S | S | . | * | trans | -129.9 | 135.7 | -173.4 | -49.6 | 107.9 | 0 | 0 | 0 | 110.3 | Y65 R70 H71 | Y65-H67 WeakPolarHBondContact CD2-O 3.35Å; H67-R70 HydrophobicContact CB-CB 4.25Å; H67-R70 HydrophobicContact CB-CG 4.08Å; H67-R70 WeakPolarHBondContact ND1-CD 3.33Å; H67-R70 PolarHBondContact O-N 3.47Å; H67-H71 PolarHBondContact O-N 3.39Å | ||
| 68 | E | 97.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 116.7 Ų | 116.7 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | -178.2 | -168.3 | 55.8 | -126 | 0 | 0 | 111.6 | Y65 R70 H71 L72 | Y65-E68 WeakPolarHBondContact CE2-OE2 3.35Å; Y65-E68 VanDerWaalsContact CZ-OE2 3.24Å; Y65-E68 PolarHBondContact OH-OE2 2.83Å; E68-R70 PolarHBondContact O-N 3.38Å; E68-R70 VanDerWaalsContact O-N 3.16Å; E68-H71 WeakPolarHBondContact O-CA 3.5Å; E68-H71 WeakPolarHBondContact O-CB 3.47Å; E68-H71 PolarHBondContact O-N 3.23Å; E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 PolarHBondContact O-N 3.47Å |
| 69 | S | 97.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 119.5 Ų | 119.5 | 61% | 0.608 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -57.3 | -36.3 | 180 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | H73 | S69-H73 VanDerWaalsContact O-CB 3.25Å; S69-H73 WeakPolarHBondContact O-CB 3.46Å; S69-H73 PolarHBondContact O-N 3.04Å |
| 70 | R | 97.4 | Very high | 93.5 | Very high | 176 Ų | 176 | 115.6 Ų | 115.6 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.2 | -34.9 | 176.3 | -67.9 | -174.4 | -179.4 | -92.4 | 0.3 | 112.2 | H67 E68 A74 | H67-R70 HydrophobicContact CB-CB 4.25Å; H67-R70 HydrophobicContact CB-CG 4.08Å; H67-R70 WeakPolarHBondContact ND1-CD 3.33Å; H67-R70 PolarHBondContact O-N 3.47Å; E68-R70 PolarHBondContact O-N 3.38Å; E68-R70 VanDerWaalsContact O-N 3.16Å; R70-A74 PolarHBondContact O-N 3.04Å; R70-A74 VanDerWaalsContact O-N 3.14Å |
| 71 | H | 98.2 | Very high | 94 | Very high | 55 Ų | 55 | 116.9 Ų | 116.9 | 26% | 0.255 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -50 | 176.5 | -174.9 | 38.6 | 0 | 0 | 0 | 110.6 | Y65 H67 E68 H73 A74 L75 | Y65-H71 HydrophobicContact CD1-CB 4.2Å; Y65-H71 AromaticContact CD1-CD2 3.86Å; Y65-H71 AromaticContact CD1-CG 3.86Å; Y65-H71 HydrophobicContact CD2-CB 3.93Å; Y65-H71 AromaticContact CE1-CD2 3.68Å; Y65-H71 HydrophobicContact CE2-CB 4.31Å; Y65-H71 HydrophobicContact CG-CB 3.86Å; H67-H71 PolarHBondContact O-N 3.39Å; E68-H71 WeakPolarHBondContact O-CA 3.5Å; E68-H71 WeakPolarHBondContact O-CB 3.47Å; E68-H71 PolarHBondContact O-N 3.23Å; H71-H73 VanDerWaalsContact C-N 3.35Å; H71-H73 PolarHBondContact O-N 3.44Å; H71-A74 PolarHBondContact O-N 3.35Å; H71-A74 VanDerWaalsContact O-N 3.09Å; H71-L75 PolarHBondContact O-N 2.87Å; H71-L75 VanDerWaalsContact O-N 3.13Å |
| 72 | L | 97.2 | Very high | 94.2 | Very high | 81 Ų | 81 | 111.9 Ų | 111.9 | 42% | 0.424 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 176 | -64.3 | 176.9 | 0 | 0 | 0 | 112 | E68 A74 L75 N76 | E68-L72 HydrophobicContact CG-CD1 4.34Å; E68-L72 PolarHBondContact O-N 3.47Å; L72-A74 VanDerWaalsContact C-N 3.27Å; L72-A74 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.44Å; L72-N76 PolarHBondContact O-N 3.22Å |
| 73 | H | 96.7 | Very high | 94.2 | Very high | 115 Ų | 115 | 102 Ų | 102 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 175.5 | 179.4 | 68.2 | 0 | 0 | 0 | 112.4 | S69 H71 L75 R77 | S69-H73 VanDerWaalsContact O-CB 3.25Å; S69-H73 WeakPolarHBondContact O-CB 3.46Å; S69-H73 PolarHBondContact O-N 3.04Å; H71-H73 VanDerWaalsContact C-N 3.35Å; H71-H73 PolarHBondContact O-N 3.44Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-R77 WeakPolarHBondContact NE2-CD 3.37Å; H73-R77 WeakPolarHBondContact O-CG 3.43Å; H73-R77 PolarHBondContact O-N 2.9Å |
| 74 | A | 95.2 | Very high | 94.2 | Very high | 28 Ų | 28 | 103.7 Ų | 103.7 | 23% | 0.231 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -72.1 | -25.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R70 H71 L72 R79 F85 | R70-A74 PolarHBondContact O-N 3.04Å; R70-A74 VanDerWaalsContact O-N 3.14Å; H71-A74 PolarHBondContact O-N 3.35Å; H71-A74 VanDerWaalsContact O-N 3.09Å; L72-A74 VanDerWaalsContact C-N 3.27Å; L72-A74 PolarHBondContact O-N 3.23Å; A74-R79 PolarHBondContact O-NH2 3.46Å; A74-F85 HydrophobicContact CB-CZ 4.21Å |
| 75 | L | 93.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.8 | -44.1 | 174.7 | -68 | 175 | 0 | 0 | 0 | 111.5 | H71 L72 H73 R77 | H71-L75 PolarHBondContact O-N 2.87Å; H71-L75 VanDerWaalsContact O-N 3.13Å; L72-L75 PolarHBondContact O-N 3.44Å; H73-L75 VanDerWaalsContact C-N 3.34Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.43Å |
| 76 | N | 92.8 | Very high | 93.5 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76 | -14.4 | -176.5 | -63.3 | -5.2 | 0 | 0 | 0 | 113.2 | L72 | L72-N76 PolarHBondContact O-N 3.22Å |
| 77 | R | 92.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -74.7 | 129 | 176.9 | -82.7 | 178.1 | 78.5 | -172.5 | 12.8 | 111.4 | H73 L75 R79 F85 | H73-R77 WeakPolarHBondContact NE2-CD 3.37Å; H73-R77 WeakPolarHBondContact O-CG 3.43Å; H73-R77 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.43Å; R77-R79 PolarHBondContact O-N 3.42Å; R77-F85 HydrophobicContact CB-CD1 3.63Å; R77-F85 HydrophobicContact CB-CE1 3.66Å; R77-F85 HydrophobicContact CG-CD1 4.48Å |
| 78 | L | 89.9 | Confident | 91.1 | Very high | 89 Ų | 89 | 97.3 Ų | 97.3 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | trans | -56.5 | 134 | 170.6 | -62.9 | 171.3 | 0 | 0 | 0 | 111.1 | ||||
| 79 | R | 92.2 | Very high | 89.3 | Confident | 134 Ų | 134 | 94.9 Ų | 94.9 | 51% | 0.506 | 52% | 0.52 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 132.2 | 176.9 | -65.2 | 179.8 | -177.8 | -80.4 | -6.6 | 109.3 | A74 R77 G83 R84 F85 | A74-R79 PolarHBondContact O-NH2 3.46Å; R77-R79 PolarHBondContact O-N 3.42Å; R79-G83 PolarHBondContact NH1-O 3.45Å; R79-G83 VanDerWaalsContact NH1-O 3.11Å; R79-R84 WeakPolarHBondContact CA-O 3.35Å; R79-F85 HydrophobicContact CG-CD1 4.44Å |
| 80 | G | 88 | Confident | 87.2 | Confident | 22 Ų | 22 | 99.9 Ų | 99.9 | 23% | 0.227 | 53% | 0.531 | C | S | . | . | trans | -85.8 | -174.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G82 G83 R84 N86 | G80-G82 PolarHBondContact O-N 3.44Å; G80-G83 PolarHBondContact O-N 3.31Å; G80-G83 VanDerWaalsContact O-N 3.07Å; G80-R84 PolarHBondContact N-O 3.09Å; G80-N86 VanDerWaalsContact CA-OD1 3.29Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact N-OD1 3.11Å | ||
| 81 | E | 91.4 | Very high | 85.2 | Confident | 197 Ų | 197 | 101.6 Ų | 101.6 | 92% | 0.921 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -53.9 | 136.8 | 171.2 | -169.1 | 174.6 | -179.9 | 0 | 0 | 111 | G83 | E81-G83 VanDerWaalsContact C-N 3.29Å; E81-G83 PolarHBondContact O-N 2.85Å |
| 82 | G | 93.5 | Very high | 82.9 | Confident | 77 Ų | 77 | 101.2 Ų | 101.2 | 79% | 0.794 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | 74.5 | 10.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G80 R84 | G80-G82 PolarHBondContact O-N 3.44Å; G82-R84 PolarHBondContact O-N 2.85Å |
| 83 | G | 90.7 | Very high | 80.6 | Confident | 39 Ų | 39 | 103.2 Ų | 103.2 | 40% | 0.402 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | 76.8 | 5.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R79 G80 E81 | R79-G83 PolarHBondContact NH1-O 3.45Å; R79-G83 VanDerWaalsContact NH1-O 3.11Å; G80-G83 PolarHBondContact O-N 3.31Å; G80-G83 VanDerWaalsContact O-N 3.07Å; E81-G83 VanDerWaalsContact C-N 3.29Å; E81-G83 PolarHBondContact O-N 2.85Å |
| 84 | R | 91.3 | Very high | 78.2 | Confident | 200 Ų | 200 | 100.5 Ų | 100.5 | 76% | 0.755 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -72 | 149.3 | 174.9 | -64.6 | 177.7 | 179.8 | -102.8 | -1.2 | 109.9 | R79 G80 G82 | R79-R84 WeakPolarHBondContact CA-O 3.35Å; G80-R84 PolarHBondContact N-O 3.09Å; G82-R84 PolarHBondContact O-N 2.85Å |
| 85 | F | 92.4 | Very high | 76.1 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 31% | 0.307 | 61% | 0.606 | S | S | . | * | B | Isolated β-bridge | trans | -77.2 | 138.4 | 174.3 | -60.3 | -64 | 0 | 0 | 0 | 110.9 | A74 R77 R79 P87 | A74-F85 HydrophobicContact CB-CZ 4.21Å; R77-F85 HydrophobicContact CB-CD1 3.63Å; R77-F85 HydrophobicContact CB-CE1 3.66Å; R77-F85 HydrophobicContact CG-CD1 4.48Å; R79-F85 HydrophobicContact CG-CD1 4.44Å; F85-P87 WeakPolarHBondContact O-CD 3.31Å |
| 86 | N | 84.3 | Confident | 73.9 | Confident | 74 Ų | 74 | 111 Ų | 111 | 40% | 0.396 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -77 | 120.8 | 177.2 | -68.5 | -14.8 | 0 | 0 | 0 | 109.8 | G80 G88 | G80-N86 VanDerWaalsContact CA-OD1 3.29Å; G80-N86 WeakPolarHBondContact CA-OD1 3.4Å; G80-N86 PolarHBondContact N-OD1 3.11Å; N86-G88 PolarHBondContact O-N 3.46Å |
| 87 | P | 77.1 | Confident | 71.9 | Confident | 140 Ų | 140 | 109.9 Ų | 109.9 | 91% | 0.909 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -23.3 | 179.9 | 26.6 | -33.4 | 0 | 0 | 0 | 112.8 | F85 | F85-P87 WeakPolarHBondContact O-CD 3.31Š|
| 88 | G | 63.4 | Low | 69.8 | Low | 60 Ų | 60 | 113 Ų | 113 | 62% | 0.619 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 31.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | N86 K90 | N86-G88 PolarHBondContact O-N 3.46Å; G88-K90 PolarHBondContact O-N 3.1Å |
| 89 | G | 59 | Low | 68.1 | Low | 39 Ų | 39 | 113.8 Ų | 113.8 | 40% | 0.402 | 66% | 0.657 | S | S | . | * | trans | -62.1 | 84.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K91 | G89-K91 PolarHBondContact O-N 2.98Š| ||
| 90 | K | 55.1 | Low | 66.1 | Low | 193 Ų | 193 | 111.4 Ų | 111.4 | 84% | 0.839 | 66% | 0.661 | S | S | * | * | trans | -39 | 127.7 | 161.2 | -66.6 | 175.1 | -179.9 | 177.5 | 0 | 106.5 | G88 G92 | G88-K90 PolarHBondContact O-N 3.1Å; K90-G92 PolarHBondContact O-N 3.31Å | ||
| 91 | K | 54.7 | Low | 64.5 | Low | 211 Ų | 211 | 115.3 Ų | 115.3 | 92% | 0.917 | 68% | 0.684 | S | S | * | * | trans | -55.5 | 81.7 | -179.1 | -159.1 | 177.5 | -174.4 | -177.4 | 0 | 108.7 | G89 S93 | G89-K91 PolarHBondContact O-N 2.98Å; K91-S93 PolarHBondContact O-N 3.07Å; K91-S93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | G | 50.5 | Low | 62.8 | Low | 47 Ų | 47 | 113.5 Ų | 113.5 | 49% | 0.485 | 68% | 0.676 | S | S | . | * | trans | -72.9 | 100.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | K90 G94 | K90-G92 PolarHBondContact O-N 3.31Å; G92-G94 PolarHBondContact O-N 3.07Å | ||
| 93 | S | 48.3 | Very low | 61 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 12.6 | 102.1 | 153.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | K91 | K91-S93 PolarHBondContact O-N 3.07Å; K91-S93 VanDerWaalsContact O-N 3.07Å |
| 94 | G | 46.8 | Very low | 59.7 | Low | 58 Ų | 58 | 122.4 Ų | 122.4 | 60% | 0.598 | 69% | 0.691 | S | S | * | * | trans | 167.8 | 81.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G92 | G92-G94 PolarHBondContact O-N 3.07Š| ||
| 95 | E | 49.9 | Very low | 58.6 | Low | 177 Ų | 177 | 119.8 Ų | 119.8 | 83% | 0.827 | 69% | 0.692 | S | S | * | * | trans | 81.5 | 111.3 | 143.4 | -57.9 | 160 | -133.7 | 0 | 0 | 116.8 | S97 | E95-S97 PolarHBondContact O-N 2.96Š| ||
| 96 | E | 48.7 | Very low | 57.5 | Low | 178 Ų | 178 | 124.9 Ų | 124.9 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -62.8 | 90.9 | 175.5 | 46.4 | -90.3 | 110.2 | 0 | 0 | 112.2 | D98 | E96-D98 PolarHBondContact O-N 2.69Å; E96-D98 VanDerWaalsContact O-N 3.16Å | ||
| 97 | S | 49.5 | Very low | 56.9 | Low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | trans | -81.7 | 92.2 | 160.5 | 67.9 | 0 | 0 | 0 | 0 | 108.9 | E95 S99 | E95-S97 PolarHBondContact O-N 2.96Å; S97-S99 VanDerWaalsContact C-N 3.31Å; S97-S99 PolarHBondContact O-N 3.34Å | ||
| 98 | D | 48.1 | Very low | 56.7 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 88.4 | 165.5 | 177.5 | 28.5 | 0 | 0 | 0 | 110.2 | E96 S100 | E96-D98 PolarHBondContact O-N 2.69Å; E96-D98 VanDerWaalsContact O-N 3.16Å; D98-S100 PolarHBondContact O-N 3.34Å | ||
| 99 | S | 54.3 | Low | 57.3 | Low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | -97.7 | 85 | 173.8 | 176.2 | 0 | 0 | 0 | 0 | 108.2 | S97 S101 | S97-S99 VanDerWaalsContact C-N 3.31Å; S97-S99 PolarHBondContact O-N 3.34Å; S99-S101 PolarHBondContact O-N 2.77Å | ||
| 100 | S | 50.3 | Low | 58 | Low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | trans | -23.9 | 113.7 | 167.5 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | D98 Q102 | D98-S100 PolarHBondContact O-N 3.34Å; S100-Q102 VanDerWaalsContact C-N 3.29Å; S100-Q102 PolarHBondContact O-N 3.29Å | ||
| 101 | S | 54.5 | Low | 58.6 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -66.9 | 86 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | S99 Q103 | S99-S101 PolarHBondContact O-N 2.77Å; S101-Q103 PolarHBondContact O-N 3.21Å | ||
| 102 | Q | 56.4 | Low | 59.4 | Low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 85.9 | 162.8 | -79 | 176.8 | -16.9 | 0 | 0 | 108.1 | S100 N104 | S100-Q102 VanDerWaalsContact C-N 3.29Å; S100-Q102 PolarHBondContact O-N 3.29Å; Q102-N104 VanDerWaalsContact C-N 3.29Å; Q102-N104 PolarHBondContact O-N 2.78Å | ||
| 103 | Q | 55.7 | Low | 59.8 | Low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -42.5 | 91.8 | 156.7 | 42.8 | -170.2 | -37.9 | 0 | 0 | 109.6 | S101 D105 | S101-Q103 PolarHBondContact O-N 3.21Å; Q103-D105 VanDerWaalsContact C-N 3.32Å; Q103-D105 PolarHBondContact O-N 2.66Å | ||
| 104 | N | 62.8 | Low | 60.4 | Low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -80.8 | 91.6 | 164.8 | -69.1 | -52.2 | 0 | 0 | 0 | 105.9 | Q102 F106 | Q102-N104 VanDerWaalsContact C-N 3.29Å; Q102-N104 PolarHBondContact O-N 2.78Å; N104-F106 PolarHBondContact O-N 3.2Å | ||
| 105 | D | 68.9 | Low | 61.2 | Low | 145 Ų | 145 | 138.3 Ų | 138.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -63.4 | 76.4 | 164.5 | -82 | -44 | 0 | 0 | 0 | 108.6 | Q103 K107 | Q103-D105 VanDerWaalsContact C-N 3.32Å; Q103-D105 PolarHBondContact O-N 2.66Å; D105-K107 PolarHBondContact O-N 2.72Å | ||
| 106 | F | 69 | Low | 61.9 | Low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.772 | 77% | 0.766 | S | S | * | * | trans | -77.5 | 84.5 | 172.5 | -158 | -95.8 | 0 | 0 | 0 | 106.4 | N104 V108 | N104-F106 PolarHBondContact O-N 3.2Å; F106-V108 HydrophobicContact CD1-CG2 3.61Å; F106-V108 HydrophobicContact CE1-CG2 4.09Å; F106-V108 PolarHBondContact O-N 3.36Å | ||
| 107 | K | 70.8 | Confident | 62.7 | Low | 185 Ų | 185 | 133.4 Ų | 133.4 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -60.9 | 89.6 | 170.1 | -169.8 | 175.7 | -177.8 | -173.7 | 0 | 107.8 | D105 S109 | D105-K107 PolarHBondContact O-N 2.72Å; K107-S109 PolarHBondContact O-N 3.05Å | ||
| 108 | V | 73.9 | Confident | 63.6 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | trans | -68.2 | 87.9 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 105.9 | F106 | F106-V108 HydrophobicContact CD1-CG2 3.61Å; F106-V108 HydrophobicContact CE1-CG2 4.09Å; F106-V108 PolarHBondContact O-N 3.36Å | ||
| 109 | S | 75.6 | Confident | 64.7 | Low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 127.2 | 165.1 | -71.4 | 0 | 0 | 0 | 0 | 107.6 | K107 | K107-S109 PolarHBondContact O-N 3.05Š|
| 110 | P | 74.6 | Confident | 65.5 | Low | 113 Ų | 113 | 137.2 Ų | 137.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.6 | 173.7 | 24.8 | -31.6 | 0 | 0 | 0 | 109.1 | ||
| 111 | P | 66.9 | Low | 66.7 | Low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 152.2 | 175.4 | 28.9 | -33.7 | 0 | 0 | 0 | 110.3 | ||
| 112 | P | 71.5 | Confident | 67.8 | Low | 203 Ų | 203 | 145 Ų | 145 | 100% | 1.318 | 79% | 0.789 | S | S | * | * | trans | -62.2 | 0 | -179.9 | 29.4 | -36.8 | 0 | 0 | 0 | 113.2 |
Retrieved 112 of 112 residues in 67 ms
(Link to these results)